1,1,1-trifluoro-2-[2-[2-(2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol

C18H19F3O2S — CID 129085387

IUPAC1,1,1-trifluoro-2-[2-[2-(2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1Sc1ccccc1C(C)(O)C(F)(F)F
InChIInChI=1S/C18H19F3O2S/c1-16(2,22)12-8-4-6-10-14(12)24-15-11-7-5-9-13(15)17(3,23)18(19,20)21/h4-11,22-23H,1-3H3
InChIKeyOBNWBLIJHGTCQB-UHFFFAOYSA-N
MW356.41 g/mol
LogP4.84
Rot. Bonds4

About 1,1,1-trifluoro-2-[2-[2-(2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol

1,1,1-trifluoro-2-[2-[2-(2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol (PubChem CID 129085387) has the molecular formula C18H19F3O2S and a molecular weight of 356.41 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[2-[2-(2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[2-[2-(2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol
PubChem CID129085387
Molecular FormulaC18H19F3O2S
Molecular Weight356.41 g/mol
Exact Mass356.11
IUPAC Name1,1,1-trifluoro-2-[2-[2-(2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1Sc1ccccc1C(C)(O)C(F)(F)F
InChIInChI=1S/C18H19F3O2S/c1-16(2,22)12-8-4-6-10-14(12)24-15-11-7-5-9-13(15)17(3,23)18(19,20)21/h4-11,22-23H,1-3H3
InChIKeyOBNWBLIJHGTCQB-UHFFFAOYSA-N
XLogP4.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[2-[2-(2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-[2-[2-(2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol (CID 129085387) is 1,1,1-trifluoro-2-[2-[2-(2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-[2-[2-(2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-[2-[2-(2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol is CC(C)(O)c1ccccc1Sc1ccccc1C(C)(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[2-[2-(2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol?
The InChIKey is OBNWBLIJHGTCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3O2S/c1-16(2,22)12-8-4-6-10-14(12)24-15-11-7-5-9-13(15)17(3,23)18(19,20)21/h4-11,22-23H,1-3H3.
What are the key properties of 1,1,1-trifluoro-2-[2-[2-(2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol?
1,1,1-trifluoro-2-[2-[2-(2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol has a molecular weight of 356.41 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[2-[2-(2-hydroxypropan-2-yl)phenyl]sulfanylphenyl]propan-2-ol is sourced from PubChem (CID 129085387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).